7-[(4-tert-butylphenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-tert-butylbenzyl)-8-chloro-1,3-dimethyl-xanthine Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H21ClN4O2/c1-18(2,3)12-8-6-11(7-9-12)10-23-13-14(20-16(23)19)21(4)17(25)22(5)15(13)24/h6-9H,10H2,1-5H3